AN EXTENSION OF QSIM WITH QUALITATIVE CURVATURE

The aim of this work is to extend the existing method of QSIM with qua litative curvature. We consider a new definition of the reasonable fun ction by introducing the concept of the point of inflection, We genera te the new tables for P-transitions and I-transitions and ultimately j ustify the need of the new definition of the reasonable function. We d emonstrate that the new definition of the reasonable function produces qualitatively accurate curvature profile of the response which is abs ent in the existing QSIM. (C) 1997 Elsevier Science B.V.